1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine

C17H18F2N4S — CID 22666210

IUPAC1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cnc(N)c2nc(C)n(CCCSc3ccc(F)cc3F)c12
InChIInChI=1S/C17H18F2N4S/c1-10-9-21-17(20)15-16(10)23(11(2)22-15)6-3-7-24-14-5-4-12(18)8-13(14)19/h4-5,8-9H,3,6-7H2,1-2H3,(H2,20,21)
InChIKeyZYUJUXNKMAVLII-UHFFFAOYSA-N
MW348.42 g/mol
LogP4.09
Rot. Bonds5

About 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine

1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine (PubChem CID 22666210) has the molecular formula C17H18F2N4S and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine
PubChem CID22666210
Molecular FormulaC17H18F2N4S
Molecular Weight348.42 g/mol
Exact Mass348.12
IUPAC Name1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine
SMILESCc1cnc(N)c2nc(C)n(CCCSc3ccc(F)cc3F)c12
InChIInChI=1S/C17H18F2N4S/c1-10-9-21-17(20)15-16(10)23(11(2)22-15)6-3-7-24-14-5-4-12(18)8-13(14)19/h4-5,8-9H,3,6-7H2,1-2H3,(H2,20,21)
InChIKeyZYUJUXNKMAVLII-UHFFFAOYSA-N
XLogP4.09
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-7-methylimidazo[4,5-c]pyridin-4-amine
CID 69193299
1-[5-(2,4-difluorophenyl)sulfanyl-1-methoxypentan-2-yl]-7-methylimidazo[4,5-c]pyridin-4-amine
CID 150530415
1-[5-(2,4-difluorophenyl)sulfanylpentyl]-2-(2-methoxyethyl)-6,7-dimethylimidazo[4,5-c]pyridin-4-amine
CID 69411241
2-(2,4-difluorophenyl)sulfanylethanamine
CID 43345434
5-(2,4-difluorophenyl)sulfanylpentan-2-amine
CID 64615173
1-(6-chlorohexylsulfanyl)-2,4-difluorobenzene
CID 63500217
6-(2,4-difluorophenyl)sulfanylhexan-3-amine
CID 106808157
3-[3-(2,4-difluorophenyl)sulfanylpropoxy]aniline
CID 43366429
3-[(2,4-difluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62468556
5-(2,4-difluorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 62224859
5-fluoro-2-(3-pyrrolidin-1-ylpropylsulfanyl)aniline
CID 54961016
5-(2,4-difluorophenyl)sulfanyl-N'-hydroxypentanimidamide
CID 109374829

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine (CID 22666210) is 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine is Cc1cnc(N)c2nc(C)n(CCCSc3ccc(F)cc3F)c12.
What is the InChIKey of 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is ZYUJUXNKMAVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4S/c1-10-9-21-17(20)15-16(10)23(11(2)22-15)6-3-7-24-14-5-4-12(18)8-13(14)19/h4-5,8-9H,3,6-7H2,1-2H3,(H2,20,21).
What are the key properties of 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine?
1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 348.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-difluorophenyl)sulfanylpropyl]-2,7-dimethylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 22666210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).